3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid

C12H13F3N2O2 — CID 66032182

IUPAC3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)8-2-4-10(16-6-8)17-9-3-1-7(5-9)11(18)19/h2,4,6-7,9H,1,3,5H2,(H,16,17)(H,18,19)
InChIKeyOYAUFZSKUAUSGS-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.77
Rot. Bonds3

About 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid

3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66032182) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66032182
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)8-2-4-10(16-6-8)17-9-3-1-7(5-9)11(18)19/h2,4,6-7,9H,1,3,5H2,(H,16,17)(H,18,19)
InChIKeyOYAUFZSKUAUSGS-UHFFFAOYSA-N
XLogP2.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid (CID 66032182) is 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(Nc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is OYAUFZSKUAUSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)8-2-4-10(16-6-8)17-9-3-1-7(5-9)11(18)19/h2,4,6-7,9H,1,3,5H2,(H,16,17)(H,18,19).
What are the key properties of 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid?
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 274.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).